5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde

C11H10O5 — CID 19901298

IUPAC5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde
SMILESCOc1c(C)c(O)c(C=O)c2c1C(=O)OC2
InChIInChI=1S/C11H10O5/c1-5-9(13)6(3-12)7-4-16-11(14)8(7)10(5)15-2/h3,13H,4H2,1-2H3
InChIKeyHGQPKFDLGUXLQI-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.19
Rot. Bonds2

About 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde

5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde (PubChem CID 19901298) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde
PubChem CID19901298
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde
SMILESCOc1c(C)c(O)c(C=O)c2c1C(=O)OC2
InChIInChI=1S/C11H10O5/c1-5-9(13)6(3-12)7-4-16-11(14)8(7)10(5)15-2/h3,13H,4H2,1-2H3
InChIKeyHGQPKFDLGUXLQI-UHFFFAOYSA-N
XLogP1.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde?
The IUPAC name of 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde (CID 19901298) is 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde.
What is the SMILES notation for 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde?
The canonical SMILES for 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde is COc1c(C)c(O)c(C=O)c2c1C(=O)OC2.
What is the InChIKey of 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde?
The InChIKey is HGQPKFDLGUXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-5-9(13)6(3-12)7-4-16-11(14)8(7)10(5)15-2/h3,13H,4H2,1-2H3.
What are the key properties of 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde?
5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde has a molecular weight of 222.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde is sourced from PubChem (CID 19901298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).